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1-Acetoxy-2-benzoyloxy-4-hydroxyanthraquinone
SpectraBase Compound ID AcKD5l1M8oz
InChI InChI=1S/C23H14O7/c1-12(24)29-22-17(30-23(28)13-7-3-2-4-8-13)11-16(25)18-19(22)21(27)15-10-6-5-9-14(15)20(18)26/h2-11,25H,1H3
InChIKey MDKOBYAHNPTKMX-UHFFFAOYSA-N
Mol Weight 402.36 g/mol
Molecular Formula C23H14O7
Exact Mass 402.073953 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1gHJdJG3aAN
Name 1-Acetoxy-2-benzoyloxy-4-hydroxyanthraquinone
Alternate Name(s) 1-(acetyloxy)-4-hydroxy-9,10-dioxo-9,10-dihydro-2-anthracenyl benzoate benzoic acid (1-acetyloxy-4-hydroxy-9,10-dioxo-2-anthracenyl) ester (1-acetyloxy-4-hydroxy-9,10-dioxoanthracen-2-yl) benzoate (1-acetoxy-4-hydroxy-9,10-dioxo-2-anthryl) benzoate [1-acetyloxy-4-oxidanyl-9,10-bis(oxidanylidene)anthracen-2-yl] benzoate
Comments Less than 3 mono-isotopic peaks
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Formula C23H14O7
InChI InChI=1S/C23H14O7/c1-12(24)29-22-17(30-23(28)13-7-3-2-4-8-13)11-16(25)18-19(22)21(27)15-10-6-5-9-14(15)20(18)26/h2-11,25H,1H3
InChIKey MDKOBYAHNPTKMX-UHFFFAOYSA-N
Molecular Weight 402.358 g/mol
SMILES Oc1cc(c(c2c1C(=O)c1ccccc1C2=O)OC(=O)C)OC(c1ccccc1)=O
SPLASH splash10-0a4i-0900000000-3be628cf4e4336a09ea3
Source of Spectrum SO-0-439-3
Wiley ID 1542220